Basic information
- CAS
292836-23-8- Standard SMILES
Nc1nonc1-n1cc(-c2ccccc2)nn1- InChIKey
JFFWKMIDTNFKOQ-UHFFFAOYSA-N- Molecular formula
- C10H8N6O
- Average molar mass
- 228.21 g/mol
- Monoisotopic mass
- 228.0759589
Names & identifiers
- Preferred name
- 4-(4-phenyl-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
- IUPAC
- 4-(4-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amine
Names & synonyms
4-(4-phenyl-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine292836-23-84-(4-phenyltriazol-1-yl)-1,2,5-oxadiazol-3-amineOprea1_647926CBDivE_006301CHEMBL3966662SCHEMBL13381628JFFWKMIDTNFKOQ-UHFFFAOYSA-DTXSID001194414STL321788AKOS022135624AH-034/11365413
Show more names
AH-034/11964010SR-01000399565SR-01000399565-1InChI=1/C10H8N6O/c11-9-10(14-17-13-9)16-6-8(12-15-16)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
Database identifiers
- CAS
292836-23-8- PubChem CID
- 747010
- DTXSID
DTXSID001194414- ChEMBL
CHEMBL3966662
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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